Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRLSAAVVAIDGPAGTGKSSVSRRLARELGARFLDTGAMYRIVTLAVLRAGADPSDIAAVETIASTVQMSLGYDPDGDSCYLAGEDVSVEIRGDAVTRAVSAVSSVPAVRTRLVELQRTMAEGPGSIVVEGRDIGTVVFPDAPVKIFLTASAETRARRRNAQNVAAGLADDYDGVLADVRRRDHLDSTRAVSPLQAAGDAVIVDTSDMTEAEVVAHLLELVTRRSEAVR
1KDR Chain:B ((5-223))
-----APVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDALVPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAFRELPG-LIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKERDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQK-----
General information:
TITO was launched using:
RESULT:
Template:
1KDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110545 for 1796 contacts (-61.6/contact) +
2D Compatibility (PS) -23236 + (NN) -10893 + (LL) 912
1D Compatibility (HY) -18000 + (ID) 4400
Total energy: -166162.0 ( -92.52 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_1KDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KDR-query.scw
PDB file :
Tito_Scwrl_1KDR.pdb
: